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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester

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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester
SpectraBase Compound ID IqjBWihj8J9
InChI InChI=1S/C28H31NO6/c1-15(2)35-28(32)25-16(3)29-21-12-19(17-6-9-20(33-4)10-7-17)13-23(31)27(21)26(25)18-8-11-22(30)24(14-18)34-5/h6-11,14-15,19,26,29-30H,12-13H2,1-5H3
InChIKey QANKMRIGTNHLCT-UHFFFAOYSA-N
Mol Weight 477.56 g/mol
Molecular Formula C28H31NO6
Exact Mass 477.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CllLtMdN7VU
Name 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.215137716 u
Formula C28H31NO6
InChI InChI=1S/C28H31NO6/c1-15(2)35-28(32)25-16(3)29-21-12-19(17-6-9-20(33-4)10-7-17)13-23(31)27(21)26(25)18-8-11-22(30)24(14-18)34-5/h6-11,14-15,19,26,29-30H,12-13H2,1-5H3
InChIKey QANKMRIGTNHLCT-UHFFFAOYSA-N
Molecular Weight 477.557 g/mol
SMILES N1C(=C(C(C=2C=CC(=C(C2)OC)O)C=2C(CC(CC12)C1=CC=C(C=C1)OC)=O)C(OC(C)C)=O)C